SCHEMBL50745

SCHEMBL50745

CC(c1ccc([N+](=O)[O-])cc1O)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.56
ALDH1A1 P00352 5/20 0.52
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 2/20 0.50
THRB P10828 1/20 0.50
ERN1 O75460 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
G6PD P11413 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7404119 0.89 GPR35 (0.56) GPR35ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL51384 0.85 ALDH1A1 (0.56) GPR35ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL1647499 0.78 ALDH1A1 (0.56) GPR35ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL7465528 0.76 ALDH1A1 (0.55) GPR35ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL23412647 0.76 ALDH1A1 (0.58) GPR35ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL51040 0.76 GPR35 (0.50) GPR35ALDH1A1TSHRSMN1; SMN2TP53
4-Nitrocatechol SCHEMBL156909 0.76 TSHR (0.69) GPR35ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL11028069 0.76 GPR35 (0.69) GPR35ALDH1A1TSHRSMN1; SMN2TP53
4-Nitrocatechol SCHEMBL11765698 0.76 TSHR (0.69) GPR35ALDH1A1TSHRSMN1; SMN2TP53
4-Nitrocatechol SCHEMBL1608536 0.76 TSHR (0.69) GPR35ALDH1A1TSHRSMN1; SMN2TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181853-B1 Thermosensitive recording medium JUJO PAPER CO LTD (JP) 2015-09-23 EP disclosed
US-8492308-B2 Thermosensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2013-07-23 US disclosed
US-8129307-B2 Thermosensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2012-03-06 US disclosed
US-20110269622-A1 THERMOSENSITIVE RECORDING MEDIUM NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2011-11-03 US disclosed
US-20110130281-A1 THERMOSENSITIVE RECORDING MEDIUM API CORPORATION 2011-06-02 US disclosed
EP-2112001-B1 THERMOSENSITIVE RECORDING MEDIUM JUJO PAPER CO LTD (JP) 2011-05-11 EP disclosed
EP-2261045-A1 HEAT-SENSITIVE RECORDING MEDIUM Nippon Paper Industries Co., Ltd. (JP) 2010-12-15 EP disclosed
EP-2181853-A1 THERMAL RECORDING MATERIAL Nippon Paper Industries Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20100099557-A1 Thermosensitive Recording Medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2010-04-22 US disclosed